ChemSpider 2D Image | 1-Epidactimicin | C18H36N6O6

1-Epidactimicin

  • Molecular FormulaC18H36N6O6
  • Average mass432.515 Da
  • Monoisotopic mass432.269623 Da
  • ChemSpider ID30791536

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Epidactimicin
Acetamide, N-[(1S,2R,3R,4R,5S,6R)-4-amino-3-[(2,6-diamino-2,3,4,6,7-pentadeoxy-β-L-lyxo-heptopyranosyl)oxy]-2,5-dihydroxy-6-methoxycyclohexyl]-2-[(iminomethyl)amino]-N-methyl- [ACD/Index Name]
N-[(1S,2R,3R,4R,5S,6R)-4-Amino-3-({(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]tetrahydro-2H-pyran-2-yl}oxy)-2,5-dihydroxy-6-methoxycyclohexyl]-N2-(iminomethyl)-N-methylglycinamid [German] [ACD/IUPAC Name]
N-[(1S,2R,3R,4R,5S,6R)-4-Amino-3-({(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]tetrahydro-2H-pyran-2-yl}oxy)-2,5-dihydroxy-6-methoxycyclohexyl]-N2-(iminomethyl)-N-methylglycinamide [ACD/IUPAC Name]
N-[(1S,2R,3R,4R,5S,6R)-4-Amino-3-({(2R,3R,6S)-3-amino-6-[(1S)-1-aminoéthyl]tétrahydro-2H-pyran-2-yl}oxy)-2,5-dihydroxy-6-méthoxycyclohexyl]-N2-(iminométhyl)-N-méthylglycinamide [French] [ACD/IUPAC Name]
103531-05-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 638.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±6.0 kJ/mol
Flash Point: 340.0±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 101.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -3.08
ACD/LogD (pH 5.5): -9.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 61.5±7.0 dyne/cm
Molar Volume: 276.5±7.0 cm3

Click to predict properties on the Chemicalize site


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